SCHEMBL16393762

SCHEMBL16393762

COc1ccc(-c2nc(C(=O)N3C[C@H](NC(=O)C4CC4)CC3C(=O)O)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.54
PDE11A Q9HCR9 11/20 0.54
PDE10A Q9Y233 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL152336 1.00 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL16393759 1.00 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL152335 1.00 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL12464378 0.95 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL12705552 0.92 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL12396146 0.92 PDE4B (0.53) PDE4BPDE11APDE10A
SCHEMBL13919447 0.92 PDE4B (0.53) PDE4BPDE11APDE10A
SCHEMBL12170411 0.89 PDE4B (0.51) PDE4BPDE11APDE10A
SCHEMBL13919907 0.88 PDE4B (0.59) PDE4BPDE11APDE10A
SCHEMBL691228 0.88 PDE4B (0.58) PDE4BPDE11APDE10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150020806-A1 DRY POWDER INHALER FOR DELIVERING MULTIPE AGGLOMERATE FORMULATIONS MERCK SHARP & DOHME CORP. 2015-01-22 US disclosed